Molecular Properties | |
SMILES: | Cc1ccc(C(=O)Nc2cnccc2SCCCO)o1 |
MW: | 292.09 |
Fraction sp3: | 0.29 |
HBA: | 5 |
HBD: | 2 |
Rotatable Bonds: | 6 |
TPSA: | 75.36 |
cLogP: | 2.71 |
Covalent Warhead: | ✗ |
Covalent Fragment: | ✗ |
Source | |
Mcule: | MCULE-6941152587 |
MolPort: | MolPort-028-278-234 |
Aliphatic long chain
MAR-TRE-3e4e6814-78
0.653
BAR-COM-0f94fc3d-49
0.297
JOH-IMS-d6628593-4
0.291
MAK-UNK-6ca90168-27
0.288
JAN-GHE-83b26c96-11
0.287
TRY-UNI-714a760b-18
0.287
TRY-UNI-2eddb1ff-4
0.287
JAN-GHE-83b26c96-4
0.287
TRY-UNI-2eddb1ff-5
0.287
JAN-GHE-83b26c96-5
0.287
EDG-MED-0da5ad92-5
0.284
JAN-GHE-83b26c96-9
0.284
MAK-UNK-6ca90168-26
0.284
JOH-IMS-d6628593-5
0.283
BEN-DND-93268d01-5
0.282
MAK-UNK-f203cb68-21
0.280
ALE-HEI-f28a35b5-12
0.278
JAN-GHE-83b26c96-10
0.278
MAK-UNK-f203cb68-22
0.277
ALE-HEI-f28a35b5-3
0.277
MIH-UNI-6b9ca91a-1
0.277
SAM-UNK-2684b532-7
0.276
SAM-UNK-2684b532-5
0.275
MAT-POS-1e5f28a7-1
0.275
SAM-UNK-2684b532-6
0.275
ALE-HEI-f28a35b5-10
0.274
BEN-DND-93268d01-3
0.274
MAT-POS-590ac91e-4
0.274
VLA-UCB-00f2c2b3-2
0.272
TRY-UNI-714a760b-5
0.272
MAK-UNK-6435e6c2-8
0.271
AAR-POS-d2a4d1df-3
0.271
MAR-TRE-67513f76-68
0.270
GAB-REV-70cc3ca5-23
0.269
JAN-GHE-83b26c96-8
0.269
MAK-UNK-f203cb68-16
0.269
PET-SGC-6e7c5dc0-1
0.268
MAT-POS-590ac91e-6
0.268
GAB-REV-70cc3ca5-20
0.267
JAN-GHE-83b26c96-13
0.267
EDJ-MED-e58735b6-2
0.267
BEN-DND-93268d01-14
0.267
TRY-UNI-714a760b-6
0.267
MAK-UNK-f203cb68-4
0.267
GAB-REV-70cc3ca5-15
0.266
WIL-MOD-03b86a88-3
0.266
GAB-REV-70cc3ca5-11
0.266
SAM-UNK-2684b532-3
0.265
TRY-UNI-9f475305-3
0.265
MAT-POS-590ac91e-7
0.265
MAK-UNK-372b0df5-3
0.264
JAN-GHE-83b26c96-2
0.264
MAT-POS-590ac91e-13
0.263
MAT-POS-590ac91e-11
0.263
JOH-IMS-d6628593-1
0.262
JAN-GHE-83b26c96-22
0.261
EDG-MED-0da5ad92-9
0.261
MAT-POS-590ac91e-29
0.261
EDG-MED-0da5ad92-10
0.261
DAR-DIA-0cde14eb-61
0.261
MAK-UNK-f203cb68-2
0.260
MAK-UNK-f203cb68-3
0.260
SAD-SAT-7d5528d9-4
0.260
MAK-UNK-f203cb68-20
0.260
JOH-IMS-d6628593-3
0.259
LON-WEI-af038623-7
0.259
MAT-POS-590ac91e-24
0.259
BEN-DND-93268d01-10
0.259
DAR-DIA-0cde14eb-62
0.258
MAK-UNK-6ca90168-28
0.256
ASH-SAT-43770c7d-9
0.256
MAT-POS-590ac91e-1
0.256
ERI-UCB-5b47150d-1
0.256
MAT-POS-590ac91e-2
0.256
EDG-MED-0da5ad92-8
0.256
MAT-POS-590ac91e-3
0.256
BEN-DND-6de5dfa0-10
0.256
TRY-UNI-2eddb1ff-2
0.256
ALE-HEI-f28a35b5-11
0.256
ALP-POS-f13221e1-4
0.256
MAK-UNK-372b0df5-2
0.255
MAK-UNK-f203cb68-17
0.255
VLA-UCB-00f2c2b3-1
0.255
SAM-UNK-2684b532-1
0.255
MAK-UNK-6ca90168-29
0.253
CHA-KIN-ceadbd93-3
0.253
ALP-POS-95b75b4d-2
0.253
GAB-REV-70cc3ca5-18
0.253
RAL-THA-6b94ceba-16
0.253
MAK-UNK-f203cb68-14
0.253
ALE-HEI-f28a35b5-2
0.250
CHA-KIN-ceadbd93-1
0.250
MAT-POS-590ac91e-27
0.250
RAL-THA-6b94ceba-6
0.250
ALP-POS-95b75b4d-1
0.250
JAN-GHE-83b26c96-12
0.250
TRY-UNI-2eddb1ff-3
0.250
DAR-DIA-0cde14eb-12
0.250
MAT-POS-590ac91e-5
0.250
AHN-SAT-202241f6-1
0.250